Inorganic Solid Phases

(Ce,La,Nd)[(As0.71P0.29)O4] (La0.1Ce0.8Nd0.1[AsO4]0.71[PO4]0.29) Crystal Structure

General Information

  • Phase Label(s): La0.1Ce0.8Nd0.1[AsO4]0.71[PO4]0.29
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): gasparite-(Ce)
  • Pearson Symbol: mP24
  • Space Group: 14
  • Phase Prototype: Ce[PO4]
  • Measurement Detail(s): automatic diffractometer; 991 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4F (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, orthophosphate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 59 variables; 776 reflections; F > 4σ(F), R = 0.0286; wR = 0.0712
  • Sample Detail(s): gasparite sample from Sweden, Dalsland, Kesebol mine, single crystal (determination of cell parameters), single crystal, 0.03×0.05×0.06 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: La0.1Ce0.8Nd0.1[AsO4]0.71[PO4]0.29
  • Alphabetic Formula: [AsO4]0.71Ce0.8La0.1Nd0.1[PO4]0.29
  • Published Formula: (Ce,La,Nd)[(As0.71P0.29)O4]
  • Refined Formula: As0.71Ce0.80La0.10Nd0.10O4P0.29
  • Wyckoff Sequence: 14,e6
  • Z Formula Units: 4
  • Density: ρ = 5.53 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1121210

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

    Citation copied